2-[(6R,7S)-6-acetyloxy-7-methyl-7-(4,7,8-trimethyl-7-oxidanyl-5-oxidanylidene-nonyl)oxepan-3-yl]ethyl ethanoate

Systemtic Name: 2-[(6R,7S)-6-acetyloxy-7-methyl-7-(4,7,8-trimethyl-7-oxidanyl-5-oxidanylidene-nonyl)oxepan-3-yl]ethyl ethanoate Openeye Name: 2-[(6R,7S)-6-acetoxy-7-(7-hydroxy-4,7,8-trimethyl-5-oxo-nonyl)-7-methyl-oxepan-3-yl]ethyl acetate CAS Name: acetic acid 2-[(6R,7S)-6-acetyloxy-7-(7-hydroxy-4,7,8-trimethyl-5-oxononyl)-7-methyl-3-oxepanyl]ethyl ester IUPAC Name: 2-[(6R,7S)-6-acetyloxy-7-(7-hydroxy-4,7,8-trimethyl-5-oxononyl)-7-methyloxepan-3-yl]ethyl acetate Traditional Name: acetic acid 2-[(6R,7S)-6-acetoxy-7-(7-hydroxy-5-keto-4,7,8-trimethyl-nonyl)-7-methyl-oxepan-3-yl]ethyl ester Formula: C25H44O7 MolecularWeight: 456.61266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CC(=O)C(C)CCCC1(C(CCC(CO1)CCOC(=O)C)OC(=O)C)C)O

Isomeric SMILES

CC(C)C(C)(CC(=O)C(C)CCC[C@]1([C@@H](CCC(CO1)CCOC(=O)C)OC(=O)C)C)O

InChI

InChI=1S/C25H44O7/c1-17(2)24(6,29)15-22(28)18(3)9-8-13-25(7)23(32-20(5)27)11-10-21(16-31-25)12-14-30-19(4)26/h17-18,21,23,29H,8-16H2,1-7H3/t18?,21?,23-,24?,25+/m1/s1